General Information of the Compound
| Compound ID |
CP0887774
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| Compound Name |
(3aS,10bS)-3a-benzyl-2-(4-(3-hydroxypropoxy)phenyl)-5,6-dihydro-3aH-benzo[e]oxazolo[4,5-c]azepin-4(10bH)-one
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| Structure |
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| Formula |
C27H26N2O4
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| Molecular Weight |
442.515
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| Canonical SMILES |
O=C1NCc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]12Cc1ccccc1
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| InChI |
InChI=1S/C27H26N2O4/c30-15-6-16-32-22-13-11-20(12-14-22)25-29-27(17-19-7-2-1-3-8-19)24(33-25)23-10-5-4-9-21(23)18-28-26(27)31/h1-5,7-14,24,30H,6,15-18H2,(H,28,31)/t24-,27-/m0/s1
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| InChIKey |
OUTRPXVQLCLHNP-IGKIAQTJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound